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(±)-2-Nonanol

(±)-2-Nonanol structure

CAS No:
628-99-9
Formula:
C9H20O
Chemical Name:
(±)-2-Nonanol
Synonyms:
2-Nonanol;1-Methyl-1-octanol;DL-Nonan-2-ol;(±)-2-Nonanol;NSC 9481;2-Hydroxynonane;74683-66-2
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

2-Nonanol has a powerful, fruity-green odor. CLEAR YELLOWISH LIQUID

Liquid|colourless liquid

2-nonanol is a secondary alcohol that is nonane substituted by a hydroxy group at position 2. It has a role as a volatile oil component, a pheromone and a plant metabolite. It derives from a hydride of a nonane.

(±)-2-Nonanol Basic Attributes

Molecular Weight：

144.25

Exact Mass：

144.25

BRN：

1719466

EC Number：

211-065-1

NSC Number：

9481

DSSTox ID：

DTXSID30454911

HScode：

29051990

Characteristics

PSA：

20.2

XLogP3：

3.35

Appearance：

Liquid

Density：

0.8399 g/cm³ @ Temp: 0 °C

Melting Point：

-35.5 °C

Boiling Point：

193.5 °C

Flash Point：

180 °F

Refractive Index：

1.430

Water Solubility：

<577mg/L(25 ºC)

Storage Conditions：

Store below +30°C.

Vapor Pressure：

0.07 mmHg

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/38-34-11

safety instructions：

26-36-45-36/37/39-16

Marks：

Xi,C,F

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 200 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-nonanol

(±)-2-Nonanol Use and Manufacturing

Manufacturing Info：

2-Nonanol: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty alcohols [FA05]

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:144.25
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:6
Exact Mass:144.151415257
Monoisotopic Mass:144.151415257
Topological Polar Surface Area:20.2
Heavy Atom Count:10
Complexity:61.7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes